1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine

C15H22N4 — CID 70277509

IUPAC1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine
SMILESCc1nnc(C)c2c1C=C(N1CCN[C@H](C)C1)CC2
InChIInChI=1S/C15H22N4/c1-10-9-19(7-6-16-10)13-4-5-14-11(2)17-18-12(3)15(14)8-13/h8,10,16H,4-7,9H2,1-3H3/t10-/m1/s1
InChIKeyCREGRCADQZXHSU-SNVBAGLBSA-N
MW258.37 g/mol
LogP1.67
Rot. Bonds1

About 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine

1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine (PubChem CID 70277509) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine.

Molecular Properties

Compound Name1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine
PubChem CID70277509
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine
SMILESCc1nnc(C)c2c1C=C(N1CCN[C@H](C)C1)CC2
InChIInChI=1S/C15H22N4/c1-10-9-19(7-6-16-10)13-4-5-14-11(2)17-18-12(3)15(14)8-13/h8,10,16H,4-7,9H2,1-3H3/t10-/m1/s1
InChIKeyCREGRCADQZXHSU-SNVBAGLBSA-N
XLogP1.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine?
The IUPAC name of 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine (CID 70277509) is 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine.
What is the SMILES notation for 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine?
The canonical SMILES for 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine is Cc1nnc(C)c2c1C=C(N1CCN[C@H](C)C1)CC2.
What is the InChIKey of 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine?
The InChIKey is CREGRCADQZXHSU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-9-19(7-6-16-10)13-4-5-14-11(2)17-18-12(3)15(14)8-13/h8,10,16H,4-7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine?
1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine has a molecular weight of 258.37 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine is sourced from PubChem (CID 70277509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).